N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine

C192H126N6O2S4 — CID 157148304

IUPACN-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4N4c5ccccc5Sc5cccc3c54)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4N4c5ccccc5Oc5cccc3c54)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4N4c5ccccc5Sc5cccc3c54)cc21
InChIInChI=1S/2C64H42N2OS.C64H42N2S2/c1-63(2)50-17-6-3-14-44(50)46-33-31-42(37-54(46)63)65(41-29-26-39(27-30-41)40-28-35-61-49(36-40)48-16-5-12-25-60(48)68-61)43-32-34-47-45-15-4-7-18-51(45)64(55(47)38-43)52-19-8-9-21-56(52)66-57-22-10-11-23-58(57)67-59-24-13-20-53(64)62(59)66;2*1-63(2)50-17-6-3-14-44(50)46-33-31-42(37-54(46)63)65(41-29-26-39(27-30-41)40-28-35-59-49(36-40)48-16-5-11-23-58(48)67-59)43-32-34-47-45-15-4-7-18-51(45)64(55(47)38-43)52-19-8-9-21-56(52)66-57-22-10-12-24-60(57)68-61-25-13-20-53(64)62(61)66/h3*3-38H,1-2H3
InChIKeyAKYQJKUSJSOIPG-UHFFFAOYSA-N
MW2677.43 g/mol
LogP53.50
Rot. Bonds12

About N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine

N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine (PubChem CID 157148304) has the molecular formula C192H126N6O2S4 and a molecular weight of 2677.43 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine
PubChem CID157148304
Molecular FormulaC192H126N6O2S4
Molecular Weight2677.43 g/mol
Exact Mass2674.88
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4N4c5ccccc5Sc5cccc3c54)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4N4c5ccccc5Oc5cccc3c54)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4N4c5ccccc5Sc5cccc3c54)cc21
InChIInChI=1S/2C64H42N2OS.C64H42N2S2/c1-63(2)50-17-6-3-14-44(50)46-33-31-42(37-54(46)63)65(41-29-26-39(27-30-41)40-28-35-61-49(36-40)48-16-5-12-25-60(48)68-61)43-32-34-47-45-15-4-7-18-51(45)64(55(47)38-43)52-19-8-9-21-56(52)66-57-22-10-11-23-58(57)67-59-24-13-20-53(64)62(59)66;2*1-63(2)50-17-6-3-14-44(50)46-33-31-42(37-54(46)63)65(41-29-26-39(27-30-41)40-28-35-59-49(36-40)48-16-5-11-23-58(48)67-59)43-32-34-47-45-15-4-7-18-51(45)64(55(47)38-43)52-19-8-9-21-56(52)66-57-22-10-12-24-60(57)68-61-25-13-20-53(64)62(61)66/h3*3-38H,1-2H3
InChIKeyAKYQJKUSJSOIPG-UHFFFAOYSA-N
XLogP53.50
TPSA41.81 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms204
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002677.43
LogP ≤ 553.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine (CID 157148304) is N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4N4c5ccccc5Sc5cccc3c54)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4N4c5ccccc5Oc5cccc3c54)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4N4c5ccccc5Sc5cccc3c54)cc21.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine?
The InChIKey is AKYQJKUSJSOIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C64H42N2OS.C64H42N2S2/c1-63(2)50-17-6-3-14-44(50)46-33-31-42(37-54(46)63)65(41-29-26-39(27-30-41)40-28-35-61-49(36-40)48-16-5-12-25-60(48)68-61)43-32-34-47-45-15-4-7-18-51(45)64(55(47)38-43)52-19-8-9-21-56(52)66-57-22-10-11-23-58(57)67-59-24-13-20-53(64)62(59)66;2*1-63(2)50-17-6-3-14-44(50)46-33-31-42(37-54(46)63)65(41-29-26-39(27-30-41)40-28-35-59-49(36-40)48-16-5-11-23-58(48)67-59)43-32-34-47-45-15-4-7-18-51(45)64(55(47)38-43)52-19-8-9-21-56(52)66-57-22-10-12-24-60(57)68-61-25-13-20-53(64)62(61)66/h3*3-38H,1-2H3.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine?
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine has a molecular weight of 2677.43 g/mol, XLogP of 53.50, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2'-amine is sourced from PubChem (CID 157148304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).